SCHEMBL18743022

SCHEMBL18743022

COC(=O)c1cc(N2CCC3(CCNCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 17/20 0.59
▸ CYP2C9 P11712 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ KHK P50053 2/20 0.40
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18692344 0.92 CFTR (0.58) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692211 0.87 CFTR (0.75) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692512 0.86 CFTR (0.60) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693424 0.86 CFTR (0.59) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692987 0.86 CFTR (0.59) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693635 0.85 CFTR (0.59) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693127 0.85 CFTR (0.60) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692718 0.85 CFTR (0.68) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692434 0.85 CFTR (0.60) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692106 0.85 CFTR (0.79) CFTRCYP2C9HRH1TMEM97SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — WO disclosed
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